SCHEMBL3107063

SCHEMBL3107063

NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.64
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NOTUM Q6P988 4/20 0.52
BTK Q06187 1/20 0.52
ESRRA P11474 1/20 0.47
PLA2G10 O15496 1/20 0.47
HPGDS O60760 1/20 0.47
ALKBH2 Q6NS38 1/20 0.47
EGLN1 Q9GZT9 3/20 0.46
AADAT Q8N5Z0 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CES2 O00748 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11482163 0.88 KMT2A (0.70) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL30978305 0.82 BTK (0.48) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL28807050 0.80 NPC1 (0.60) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL4481678 0.80 HPGDS (0.51) NPC1RAB9AMEN1KMT2ABTK
SCHEMBL30132085 0.80 HPGDS (0.51) NPC1RAB9AMEN1KMT2ABTK
SCHEMBL2710344 0.80 KMT2A (0.77) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL2413147 0.79 EPHX2 (1.00) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL14764217 0.79 EPHX2 (0.68) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL2190049 0.78 ALKBH2 (0.74) NPC1RAB9AMEN1KMT2AHPGDS
SCHEMBL28876225 0.77 BTK (0.41) EPHX2NPC1RAB9AMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
EP-2132178-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-16 EP disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 EPHX2 2332/4885NPC1 692/4885RAB9A 2236/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.